Chemical ID: 6032346

Cc1cc(c(o1)C)C(=O)N(CCC(=O)NCC(C)C)C2CC2
Chemical ID:
6032346
Name [?]:
N-cyclopropyl-N-[2-(isobutylcarbamoyl)ethyl]-2,5-dimethyl-furan-3-carboxamide
SMILES [?]:
Cc1cc(c(o1)C)C(=O)N(CCC(=O)NCC(C)C)C2CC2
InChi [?]:
InChI=1/C17H26N2O3/c1-11(2)10-18-16(20)7-8-19(14-5-6-14)17(21)15-9-12(3)22-13(15)4/h9,11,14H,5-8,10H2,1-4H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:18,19,1,7,21,22,12,11,3,16,17,2,5,20,4,13,8,15,10,14,9,6/E:(1,2)(5,6)/rA:22nCCCCCOCCONCCCONCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s4;d8;s8;s10;s11;s12;d13;s13;s15;s16;s17;s17;s10;s20;s20s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H26N2O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.0627
Area:525.169
Solvation:-3.0665
Coulombic:-43.4049
Bond Count [?]
All:23
Single:19
Double:4
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:306.4
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.6
LogP (Chemaxon):1.12

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue